2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide

C17H16Cl2FN3O2 — CID 90634216

IUPAC2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FN3O2/c18-10-1-6-14(15(19)7-10)16(24)23-12-2-4-13(5-3-12)25-17-21-8-11(20)9-22-17/h1,6-9,12-13H,2-5H2,(H,23,24)
InChIKeyFGRHZQXZTJGMTJ-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.04
Rot. Bonds4

About 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide

2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide (PubChem CID 90634216) has the molecular formula C17H16Cl2FN3O2 and a molecular weight of 384.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
PubChem CID90634216
Molecular FormulaC17H16Cl2FN3O2
Molecular Weight384.24 g/mol
Exact Mass383.06
IUPAC Name2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FN3O2/c18-10-1-6-14(15(19)7-10)16(24)23-12-2-4-13(5-3-12)25-17-21-8-11(20)9-22-17/h1,6-9,12-13H,2-5H2,(H,23,24)
InChIKeyFGRHZQXZTJGMTJ-UHFFFAOYSA-N
XLogP4.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
CID 91626383
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 90634146
1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
CID 90634472

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide (CID 90634216) is 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The InChIKey is FGRHZQXZTJGMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O2/c18-10-1-6-14(15(19)7-10)16(24)23-12-2-4-13(5-3-12)25-17-21-8-11(20)9-22-17/h1,6-9,12-13H,2-5H2,(H,23,24).
What are the key properties of 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide has a molecular weight of 384.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide is sourced from PubChem (CID 90634216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).